N-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide

C12H20N2O2S2 — CID 43500632

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
SMILESCc1nc(CSCCC(=O)NC(C)(C)CO)cs1
InChIInChI=1S/C12H20N2O2S2/c1-9-13-10(7-18-9)6-17-5-4-11(16)14-12(2,3)8-15/h7,15H,4-6,8H2,1-3H3,(H,14,16)
InChIKeyQSZSAYPFJHVLCX-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.96
Rot. Bonds7

About N-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide

N-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide (PubChem CID 43500632) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
PubChem CID43500632
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
SMILESCc1nc(CSCCC(=O)NC(C)(C)CO)cs1
InChIInChI=1S/C12H20N2O2S2/c1-9-13-10(7-18-9)6-17-5-4-11(16)14-12(2,3)8-15/h7,15H,4-6,8H2,1-3H3,(H,14,16)
InChIKeyQSZSAYPFJHVLCX-UHFFFAOYSA-N
XLogP1.96
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide (CID 43500632) is N-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide is Cc1nc(CSCCC(=O)NC(C)(C)CO)cs1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
The InChIKey is QSZSAYPFJHVLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-9-13-10(7-18-9)6-17-5-4-11(16)14-12(2,3)8-15/h7,15H,4-6,8H2,1-3H3,(H,14,16).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
N-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide has a molecular weight of 288.44 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 43500632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).